1,2-Di-p-tolylethane-1,2-dione

Name: 1,2-Di-p-tolylethane-1,2-dione
Brand: ChemScene
Availability: InStock
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CAS No. 3457-48-5
Cat. No. CS-W014149
Purity≥98%
MDL No.MFCD00008554

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1,2-Di-p-tolylethane-1,2-dione|CS-W014149

Structure of 3457-48-5

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General Information

CAS No. 3457-48-5
Cat. No. CS-W014149
Purity ≥98%
MDL No. MFCD00008554
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₄O₂
Molecular Weight 238.29
Synonym(s) 4,4'-Dimethylbenzil
SMILES O=C(C1=CC=C(C)C=C1)C(C2=CC=C(C)C=C2)=O

Description

1,2-Di-p-tolylethane-1,2-dione features a symmetric diketone core flanked by two p-tolyl groups, delivering enhanced stability and solubility in organic solvents. This configuration supports its role as a key intermediate in the synthesis of heterocyclic compounds and conjugated materials, particularly under mild reaction conditions.

Application

1,2-Di-p-tolylethane-1,2-dione serves as a versatile bis-ketone scaffold for constructing substituted heterocycles and functionalized aromatic systems. Its stability under standard bench conditions and orthogonal reactivity enable efficient access to complex molecular architectures via condensation, cyclization, and metal-catalyzed coupling protocols. Functions reliably in multi-step synthesis workflows requiring robust diaryl ketone intermediates.

Synthesis

Route1
- 5173-28-4
- ~97%
- In-stock
  
  3457-48-5
References
- Verma, Sanny; Nandi, Mahasweta; Modak, Arindam; Jain, Suman L.; Bhaumik, Asim Advanced Synthesis and Catalysis, 2011 , vol. 353, # 11-12 p. 1897 - 1902
Route2
- In-stock
  
  1218-89-9
- ~98%
- In-stock
  
  3457-48-5
References
- Seyedi, Seyed Mohammad; Sandaroos, Reza; Zohuri, Gholam Hossein Chinese Chemical Letters, 2010 , vol. 21, # 11 p. 1303 - 1306
Route3
- 1398122-50-3
- ~92%
- In-stock
  
  3457-48-5
References
- Bhosale, Shrikar M.; Momin, Aadil A.; Gawade, Rupesh L.; Puranik, Vedavati G.; Kusurkar, Radhika S. Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5327 - 5330

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 34.14
LogP 3.36904
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Biomaterials/Biocompatible Materials Research Reagents Polymerization Reagents (Initiators, Catalysts, Ligands) Photopolymerization Initiators

Material Science Polymer/Macromolecule Reagents Polymerization Reagents Polymerization Initiators

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1,2-Di-p-tolylethane-1,2-dione

CAS No. 3457-48-5

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